CdGd2(WO2)4单晶的顺磁共振谱研究

通过粉末XRD测定了CdGd₂(WO₂)₄单晶的晶格常数,由σ- T和ESR实验得出晶体具有顺磁性,但又具有磁各向异性,探讨了晶体的磁各向异性与晶体结构的关系,计算了各向异性g²张量,所得结果和实验符合甚好.      

MgF2单晶的THz光谱研究

利用THz时域光谱技术对MgF2晶体(样品1)和MgF2:Co晶体(样品2)在0.5-2.5THz的吸收特性进行了研究.在0.5-2.5 THz波段,样品1吸收系数α(ν)随频率ν增加而增大,最大值为24 cm-1.样品2的吸收系数比样品1大得多,Co掺杂使晶格吸收带边向低频移动,而且样品2在1.9THz有吸收峰,吸收系数达到70 cm-1,由此求出F--Co2+离子键伸缩振动的键力常数K为3.40×10-2 N/cm.这一结果表明,THz光谱分析有可能成为研究晶体化学键的一种重要手段.利用光学常数之间的关系计算了两个样品在0.5-2.5 THz的介电函数的实部ε1(ν),得到样品1的ε1(ν)值在4.67至4.73之间,样品2的ε1(ν)值在4.62至5.01之间.     

谱-空间2D ESR成像

在Bruker ER 200D ESR 谱仪上安装一套自制的谱-空间2D ESR成像系统,这套系统由一对梯度场线圈、电源、微机及图像重建程序组成. 用滤波反投影图像重建方法,实现了两种自由基样品的谱-空间2D ESR成像,由2D 图像得到样品中自由基的自旋密度空间分布及相应的波谱参数. 讨论了成像参数与图像精度的关系.     

基于M壳层辐射的Si K边X射线吸收近边结构谱实验研究

基于纳秒高功率激光辐照高原子序数靶材产生的等离子体M壳层X射线辐射,利用椭圆柱面晶体谱仪进行薄膜单晶Si样品的K边X射线吸收近边结构谱(XANES)静态实验研究;通过详细介绍实验方案,分析椭圆柱面晶体谱仪的原理,得到谱仪的位置-能量色散关系,并对Au、Lu、Yb、Dy、Ta、Co这6种靶材产生的等离子体X射线光谱进行比较。结果表明:通过比较这6种靶材产生的等离子体X射线光谱后发现,在Si的K边(1839eV)附近,Lu、Yb、Dy靶材的激光等离子体M壳层辐射相对其他几种靶材具有较高的光谱亮度,对应的XANES的信噪比较好;实验获得的XANES与FEFF9.0软件计算结果基本符合,验证了单发获得的静态实验数据是可靠的。     

强场物理中自生磁场的实验研究

为了获得飞秒激光与固体靶相互作用中自生磁场的大小与空间分布情况, 利用光学多道分析（OMA）谱仪（谱分辨0.1nm ）加电荷耦合器件（CCD）相机（11521242）探测设备, 用消色差的相机镜头作为空间分辨,在固体靶前表面测量了激光的高次谐波（n0）光谱, 观测到了n0光谱的精细结构及其频率间隔,由此推出激光与固体靶相互作用中产生的等离子体内的自生磁场达60-70特斯拉（T）量级, 且越接近靶法线方向磁场越强,其一维空间分布为环形。 这一结果为进一步研究强场物理中自生磁场的特性及等离子体的整体行为提供了依据。     

铁电单晶0.62Pb(Mg1/3Nb2/3)O3-0.38PbTiO3折射率的研究

用最小偏向角法在20℃下精确测量了0.62Pb(Mg1/3Nb2/3)O3-0.38PbTiO3(0.62PMN-0.38PT)单晶的折射率,给出了该温度下折射率色散的Sellmeier方程.研究了能带结构与折射率的关系,计算了样品的Sellmeier光学系数:对no,E0=5.50eV,λ0=0.226μm,S0=1.004×1014m-2,Ed=28.10eV;对ne,E0=5.57eV,λ0=0.223μm,S0=1.017×1014m-2,Ed=28.10eV.ABO3型钙钛矿材料中,BO6八面体基元决定了晶体的能带结构,对折射率产生重要影响.     

单晶LiNbO3:Mn2+的ESR谱研究

用室温电子自旋共振（ESR）实验研究单晶LiNbO3中Mn2+的精细结构和超精细结构.对ESR谱的分析得出,零磁场的能级分裂数值：自旋角动量能级±12〉与±32〉之间的间隔为Δε1=-587×10-4cm-1,而±32〉与±52〉之间的能级间隔为Δε2=-2633×10-4cm-1；其各向异性朗德因子g∥=21810，g⊥=20937；精细结构常数D=-536×10-4cm-1；超精细结构常数A∥=8836×10-4cm-1，A⊥=8120×10-4cm-1，即精细结构相互作用要比超精细结构相互作用大得多.另外，特别值得提到的是实验中还发现两组明显的禁戒跃迁，-32〉12〉和-12〉52〉. 关键词： 单晶 精细结构 超精细结构 禁戒跃迁     

Nd1.85Ce0.15 CuO4-δ单晶c-轴方向电阻的低场行为

采用自助熔剂缓冷法成功地生长出了Nd1.85Ce0.15CuO4-δ单晶,其零场下零电阻温度约为21K.在0-0.5T范围内分别测量了磁场平行和垂直样品表面的电阻转变曲线以及0.5T不同角度下的电阻转变曲线.结果显示磁场平行和垂直样品表面时的转变温度Tp随磁场的变化均服从H=H0(1-Tp(h)/Tp(0))2关系.0.5T不同角度下的转变温度Tp符合有效质量模型,即Tp∝H1/12(cos2θ+sin2θ/γ2)1/4.该单晶的各向异性因子γ约为45.     

Sr14-xCaxCu24O41的芯能级光电子发射谱

测量了准一维1/2自旋的反铁磁体系Sr14-xCaxCu24O41(x=0、3.5、6、7、8.4)多晶样品的芯能级光电子发射谱.各样品的Cu2p3/2的光电子发射谱中主峰峰位位于933.8eV左右,半高宽为3.3eV左右,拟合结果表明,当x=0时,Cu2+和Cu3+的质量分数分别为92.13%和7.87%;而Ca对A位Sr的替代对B位Cu芯能级的影响不明显,Cu2+和Cu3+的质量分数变化很小,估算得该体系中Cu离子的平均化合价为2.08;O1s的光电子发射谱中峰位位于531.0eV左右,并由于Ca对Sr的替代导致在低结合能方向出现一个小的台肩,该台肩来自于Ca-O键的贡献;Ca2p3/2的光电子发射谱中峰位位于346.4eV左右,Sr3d5/2的光电子发射谱中峰位位于133.4eV左右,证明在该体系中Ca和Sr的化合价均为+2价,没有混合价态存在.     

铁电单晶0.62Pb(Mg1/3Nb2/3)O3-0.38PbTiO3折射率的研究

用最小偏向角法在20℃下精确测量了0.62Pb(Mg_1/3Nb_2/3)O_{3< /sub>-0.38PbTiO3( 0.62PMN-0.38PT)单晶的折射率，给出了该温度下折射率色散的Sellmeier方程.研究了能带 结构与折射率的关系，计算了样品的Sellmeier光学系数：对no，E0=5.50eV,λ0=0.2 26μm，Ｓ０=1.004×10¹⁴m^-2，Ed=28.1 0eV；对ne，Ｅ0=5.57eV,λ 0=0.223μm，S0=1.017×10¹⁴m^-2，Ed=28.10eV.A BO3型钙钛矿材料中，BO6八面体基元决定了晶体的能带结构，对折 射率产生重要影响. 关键词： PMNT单晶 折射率 Sellmeier光学系数}     

Judd-Oflet analysis of spectrum and laser performance of Ho：YAP crystal end-pumped by 1.91μm Tm：YLF laser

The Ho:YAP crystal is grown by the Czochralski technique.The room temperature polarized absorption spectra of Ho:YAP crystal was measured on a c cut sample with 1 at% holmium.According to the obtained Judd-Ofelt intensity parameters Ω2 = 1.42 × 10-20 cm2,Ω4 = 2.92 × 10-20 cm2,and Ω6 = 1.71 × 10-20 cm2,this paper calculated the fluorescence lifetime to be 6 ms for 5I7 →5 I8 transition,and the integrated emission cross section to be 2.24×10-18 cm2.It investigates the room temperature Ho:YAP laser end pumped by a 1.91 μm Tm:YLF laser.The maximum output power was 4.1 W when the incident 1.91 μm pump power was 14.4 W.The slope efficiency is 40.8%,corresponding to an optical to optical conversion efficiency of 28.4%.The Ho:YAP output wavelength was centred at 2118 nm with full width at half maximum of about 0.8 nm.     

Dy2 AlFe13 Mn3 化合物的本征磁致伸缩

通过X-射线衍射及磁测量手段研究了Dy2AlFe13Mn3化合物的结构及磁性质。研究结果表明Dy2AlFe13Mn3化合物具有六角相的Th2Ni17型结构。通过X-射线热膨胀测定法发现Dy2AlFe13Mn3化合物在245到344K的温度范围内存在负热膨胀现象，其平均热膨胀系数为α＝-1.1×10-4K-1K-1。在105到360K的温度范围内，通过比较磁性状态下的晶胞参数和由高温顺磁状态外延得到的低温顺磁状态下的晶胞参数间的差别计算了Dy2AlFe13Mn3化合物的本征磁致伸缩。结果表明Dy2AlFe13Mn3化合物的本征体磁致伸缩ωS在105到245K的温度范围内随着温度的升高而增大，由105K时的7.0×10-3 增加到245K时的9.1×10-3。随着温度的进一步升高，ωS反而减小。沿c轴方向的本征线磁致伸缩λc随着温度的升高而减小。基面内的本征线磁致伸缩λa在105到270K的温度范围内随着温度的升高而增大，从105K时的0.8×10-3增大到270K时的3.4×10-3，然后随着温度的进一步升高而减小。     

Spin polarization effect for molecule Ta2

Density functional theory （DFT） （B3p86） has been used to optimize the structure of the molecule Ta2. The result shows that the ground state of molecule Ta2 is a 7-multiple state and its electronic configuration is ^7∑u^＋, which shows the spin polarization effect for molecule Ta2 of transition metal elements for the first time. Meanwhile, spin pollution has not been found because the wavefunction of the ground state does not mix with those of higher states. So, the fact that the ground state of molecule Ta2 is a 7-multiple state indicates a spin polarization effect of molecule Ta2 of the transition metal elements, i.e. there exist 6 parallel spin electrons and the non-conjugated electrons are greatest in number. These electrons occupy different space orbitals so that the energy of molecule Ta2 is minimized. It can be concluded that the effect of parallel spin of the molecule Ta2 is larger than the effect of the conjugated molecule, which is obviously related to the effect of d-electron delocalization. In addition, the Murrell-Sorbie potential functions with parameters for the ground state ^7∑u^＋ and other states of the molecule Ta2 are derived. The dissociation energy De, equilibrium bond length Re and vibration frequency we for the ground state of molecule Ta2 are 4.5513eV, 0.2433nm and 173.06cm^-1, respectively. Its force constants f2, f3 and f4 are 1.5965×10^2aJ.nm^-2, -6.4722×10^3aJ·nm^-3 and 29.4851×10^4aJ·nm^-4, respectively. Other spectroscopic data we xe, Be and αe for the ground state of Ta2 are 0.2078cm^-1, 0.0315 cm^-1 and 0.7858×10^-4 cm^-1, respectively.     

Judd--Ofelt analysis of spectra and experimental evaluation of laser performance of Tm3+ doped Lu2SiO5 crystal

This paper reports that the Tm^3＋：Lu2SiO5 （Tm：LSO） crystal is grown by Czochralski technique. The roomtemperature absorption spectra of Tm：LSO crystal are measured on a b-cut sample with 4 at.% thulium. According to the obtained Judd-Ofelt intensity parameters Ω2=9.3155×10^-20 cm^2, Ω4=8.4103×10^-20 cm^2, Ω6=1.5908×10^-20 cm^2, the fluorescence lifetime is calculated to be 2.03 ms for ^3F4 → ^3H6 transition, and the integrated emission cross section is 5.81×10^-18 cm^2. Room-temperature laser action near 2μm under diode pumping is experimentally evaluated in Tm：LSO. An optical-optical conversion efficiency of 9.1% and a slope efficiency of 16.2% are obtained with continuouswave maximum output power of 0.67 W. The emission wavelengths of Tm：LSO laser are centred around 2.06μm with spectral bandwidth of -13.6 nm.     

Spin polarization effect for Os2 molecule

Density functional Theory （DFT） （B3p86） of Gaussian03 has been used to optimize the structure of Os2 molecule. The result shows that the ground state for Os2 molecule is 9-multiple state and its electronic configuration is ^9∑^＋g, which shows spin polarization effect of Os2 molecule of transition metal elements for the first time. Meanwhile, we have not found any spin pollution because the wavefunction of the ground state does not mingle with wavefunctions with higher energy states. So, the fact that the ground state for Os2 molecule is a 9-multiple state is indicative of spin polarization effect of Os2 molecule of transition metal elements. That is, there exist 8 parallel spin electrons. The non-conjugated electron is greatest in number. These electrons occupy different spacious tracks, so that the energy of Os2 molecule is minimized. It can be concluded that the effect of parallel spin of Os2 molecule is larger than the effect of the conjugated molecule, which is obviously related to the effect of electron d delocalization. In addition, the Murrell-Sorbie potential functions with the parameters for the ground state ^9∑^＋g and other states of Os2 molecule are derived. Dissociation energy De for the ground state of Os2 molecule is 3.3971eV, equilibrium bond length Re is 0.2403nm, vibration frequency ωe is 235.32cm^-1. Its force constants f2, f3, and f4 are 3.1032×10^2aJ·nm^-2, -14.3425×10^3aJ·nm^-3 and 50.5792×10^4aJ·nm^-4 respectively. The other spectroscopic data for the ground state of Os2 molecule ωexe, Be and ae are 0.4277cm^- 1, 0.0307cm^- 1 and 0.6491 × 10^-4cm^-1 respectively.     

Anisotropic properties of TaS2

The anisotropic properties of 1T- and 2H-TaS2 axe investigated by the density functional theory within the framework of full-potential linearized augmented plane wave method. The band structures of 1T- and 2H-TaS2 exhibit anisotropic properties and the calculated electronic specific-heat coefficient γ of 2H-TaS2 accords well with the existing experimental value. The anisotropic frequency-dependent dielectric functions including the effect of the Drude term are analysed, where the ε^xx（ω） spectra corresponding to the electric field E perpendicular to the z axis show excellent agreement with the measured results except for the ε1^xx（ω） of 1T-TaS2 below the energy level of 2.6 eV which is due to the lack of the enough CDW information for reference in our calculation. Furthermore, based on the values of optical effective mass ratio P of 1T and 2H phases it is found that the anisotropy in 2H-TaS2 is stronger than that in 1T-TaS2.     

Elastic collisions between Si and D atoms at low temperatures and accurate analytic potential energy function and molecular constants of the SiD（χ^2П） radical

Interaction potential of the SiD(X2Π) radical is constructed by using the CCSD(T) theory in combination with the largest correlation-consistent quintuple basis set augmented with the diffuse functions in the valence range. Using the interaction potential, the spectroscopic parameters are accurately determined. The present D0, De, Re, ωe, αe and Be values are of 3.0956 eV, 3.1863 eV, 0.15223 nm, 1472.894 cm-1, 0.07799 cm-1 and 3.8717 cm-1, respectively, which are in excellent agreement with the measurements. A total of 26 vibrational states is predicted when J=0 by solving the radial Schro¨dinger equation of nuclear motion. The complete vibrational levels, classical turning points, initial rotation and centrifugal distortion constants when J=0 are reported for the first time, which are in good accord with the available experiments. The total and various partial-wave cross sections are calculated for the elastic collisions between Si and D atoms in their ground states at 1.0×10-11–1.0×10-3 a.u. when the two atoms approach each other along the SiD(X2Π) potential energy curve. Four shape resonances are found in the total elastic cross sections, and their resonant energies are of 1.73×10-5, 4.0×10-5, 6.45×10-5 and 5.5×10-4 a.u., respectively. Each shape resonance in the total elastic cross sections is carefully investigated. The results show that the shape of the total elastic cross sections is mainly dominated by the s partial wave at very low temperatures. Because of the weakness of the shape resonances coming from the higher partial waves, most of them are passed into oblivion by the strong s partial-wave elastic cross sections.     

Evaluation of second-order Zeeman frequency shift in NTSC-F2

Caesium atomic fountain clock is a primary frequency standard, which realizes the duration of second. Its performance is mostly dominated by the frequency accuracy, and the C-field induced second-order Zeeman frequency shift is the major effect, which limits the accuracy improvement. By applying a high-precision current supply and high-performance magnetic shieldings, the C-field stability has been improved significantly. In order to achieve a uniform C-field, this paper proposes a doubly wound C-field solenoid, which compensates the radial magnetic field along the atomic flight region generated by the lead-out single wire and improves the accuracy evaluation of second-order Zeeman frequency shift. Based on the stable and uniform C-field, we launch the selected atoms to different heights and record the magnetically sensitive Ramsey transition|F = 3, mF=-1 → |F = 4, mF=-1 central frequency, obtaining this frequency shift as 131.03×10~(-15) and constructing the C-field profile(σ = 0.15 n T). Meanwhile, during normal operation, we lock NTSC-F2 to the central frequency of the magnetically sensitive Ramsey transition |F = 3, mF=-1 → |F = 4, mF=-1 fringe for ten consecutive days and record this frequency fluctuation in time domain. The first evaluation of second-order Zeeman frequency shift uncertainty is 0.10×10~(-15). The total deviation of the frequency fluctuation on the clock transition induced by the C-field instability is less than 2.6×10~(-17). Compared with NTSC-F1, NTSC-F2, there appears a significant improvement.     

Optical parameters and energy levels splitting of Ho^3＋ in Ho^3＋： GdVO4

Ho^3＋ ： GdVO4 is a new laser material suitable for high-power laser systems. In this paper we measure the absorption spectra of Ho^3＋ in the sample Ho^3＋： GdVO4. The intensity parameters are calculated by using the Judd-Ofelt theory. Some predicted spectroscopic parameters, such as the spontaneous radiative transition rate, branching ratio and integrated emission cross section are dealt with. And we also compare the optical parameters with those of other materials. From these results, it is found that there are many transitions which have large oscillator strengths and large integrated emission cross sections. Especially the transitions such as ^5 F4 → ^5 I 8, ^5 S2→^5 I8, ^5 F5 → ^5 I8 and ^5 I7 →^ 5 I8 are useful in solid-state lasers and other fields. Finally, we discuss the splitting of the energy levels of Ho^3＋ in the crystal GdVO4 based on the group theory.     

Determination of the stellar reaction rate for 12C（α,γ）16O： using a new expression with the reaction mechanism

The astrophysical reaction rate of 12C(α, γ)16O plays a key role in massive star evolution. However, this reaction rate and its uncertainties have not been well determined yet, especially at T9=0.2. The existing results even disagree with each other to a certain extent. In this paper, the E1, E2 and total (E1+E2) 12C(α, γ)16O reaction rates are calculated in the temperature range from T9=0.3 to 2 according to all the available cross section data. A new analytic expression of the 12 C(α, γ)16 O reaction rate is brought forward based on the reaction mechanism. In this expression, each part embodies the underlying physics of the reaction. Unlike previous works, some physical parameters are chosen from experimental results directly, instead of all the parameters obtained from fitting. These parameters in the new expression, with their 3σ fit errors, are obtained from fit to our calculated reaction rate from T9=0.3 to 2. Using the fit results, the analytic expression of 12C(α, γ)16O reaction rate is extrapolated down to T9=0.05 based on the underlying physics. The 12C(α, γ)16 O reaction rate at T9=0.2 is (8.78 ± 1.52) × 1015 cm3s-1mol-1. Some comparisons and discussions about our new 12 C(α, γ)16 O reaction rate are presented, and the contributions of the reaction rate correspond to the different part of reaction mechanism are given. The agreements of the reaction rate below T9=2 between our results and previous works indicate that our results are reliable, and they could be included in the astrophysical reaction rate network. Furthermore, we believe our method to investigate the 12C(α, γ)16O reaction rate is reasonable, and this method can also be employed to study the reaction rate of other astrophysical reactions. Finally, a new constraint of the supernovae production factor of some isotopes are illustrated according to our 12C(α, γ)16O reaction rates.